N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide

C18H19N7O3S — CID 24963481

IUPACN-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(O)CC1)c1csc(Nc2ccnc(=O)[nH]2)n1
InChIInChI=1S/C18H19N7O3S/c26-11-4-8-25(9-5-11)15-12(2-1-6-19-15)21-16(27)13-10-29-18(22-13)24-14-3-7-20-17(28)23-14/h1-3,6-7,10-11,26H,4-5,8-9H2,(H,21,27)(H2,20,22,23,24,28)
InChIKeyUCAKNGBVALRDLB-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide

N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 24963481) has the molecular formula C18H19N7O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID24963481
Molecular FormulaC18H19N7O3S
Molecular Weight413.46 g/mol
Exact Mass413.13
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1N1CCC(O)CC1)c1csc(Nc2ccnc(=O)[nH]2)n1
InChIInChI=1S/C18H19N7O3S/c26-11-4-8-25(9-5-11)15-12(2-1-6-19-15)21-16(27)13-10-29-18(22-13)24-14-3-7-20-17(28)23-14/h1-3,6-7,10-11,26H,4-5,8-9H2,(H,21,27)(H2,20,22,23,24,28)
InChIKeyUCAKNGBVALRDLB-UHFFFAOYSA-N
XLogP1.58
TPSA136.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide (CID 24963481) is N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide is O=C(Nc1cccnc1N1CCC(O)CC1)c1csc(Nc2ccnc(=O)[nH]2)n1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is UCAKNGBVALRDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3S/c26-11-4-8-25(9-5-11)15-12(2-1-6-19-15)21-16(27)13-10-29-18(22-13)24-14-3-7-20-17(28)23-14/h1-3,6-7,10-11,26H,4-5,8-9H2,(H,21,27)(H2,20,22,23,24,28).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide?
N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[(2-oxo-1H-pyrimidin-6-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24963481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).